2-[(4-methylphenyl)carbonylamino]propanedioic acid

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]propanedioic acid Openeye Name: 2-[(4-methylbenzoyl)amino]propanedioic acid CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]propanedioic acid IUPAC Name: 2-[(4-methylbenzoyl)amino]propanedioic acid Traditional Name: 2-(p-toluoylamino)malonic acid Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(=O)O)C(=O)O

InChI

InChI=1S/C11H11NO5/c1-6-2-4-7(5-3-6)9(13)12-8(10(14)15)11(16)17/h2-5,8H,1H3,(H,12,13)(H,14,15)(H,16,17)